3-(4-methoxyphenoxy)-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one

Systemtic Name: 3-(4-methoxyphenoxy)-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)chromone Formula: C21H22NO5+ MolecularWeight: 368.40308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)O

Isomeric SMILES

COC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)O

InChI

InChI=1S/C21H21NO5/c1-25-14-4-6-15(7-5-14)27-19-13-26-21-16(20(19)24)8-9-18(23)17(21)12-22-10-2-3-11-22/h4-9,13,23H,2-3,10-12H2,1H3/p+1